{
  "abstract": "Rouse modes diagonalize the polymer connectivity matrix to describe how conformational motion is distributed over structural modes, yet the chemistry distributed along that same chain is traditionally encoded through hand-crafted, system-specific descriptors. Here, we generalize Rouse modes from bead coordinates to bead identity through a Graph Fourier Transform (GFT), which projects a chemically specific sequence signal onto the eigenbasis of the polymer graph Laplacian. The correspondence is exact for the combinatorial Laplacian, and holds by close analogy for its degree-weighted normalized counterpart. GFT descriptors predict the radius of gyration of architecturally diverse coarse-grained copolymers with accuracy comparable to a bespoke graph neural network and, with only the signal redefined, resolve liquid-liquid phase separation propensity in intrinsically disordered proteins. Predictive performance degrades with the degeneracy introduced by symmetric architectures. Generalized Rouse modes thus offer an architecture-adaptive and interpretable alternative to bespoke descriptors for sequence-controlled macromolecules.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": null,
  "author_total": 2,
  "authors": [
    {
      "name": "Viviana Palacio-Betancur"
    },
    {
      "name": "Nicholas E. Jackson",
      "orcid": "0000-0002-1470-1903"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/a0yz4wdf6xbqf.bib",
  "cited_by": 0,
  "doi": "10.26434/chemrxiv.15008630/v1",
  "fulltext_url": null,
  "id": "a0yz4wdf6xbqf",
  "issns": [],
  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15008630/v1",
  "language": null,
  "licence": "CC-BY-NC-ND",
  "licence_label": "CC BY-NC-ND",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by-nc-nd/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "1606|Advanced Physical and Chemical Molecular Interactions"
    ]
  ],
  "openalex": "W7212123145",
  "pdf_url": "https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15008630/v1",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-10",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/a0yz4wdf6xbqf.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:19Z",
      "native_id": "10.26434/chemrxiv.15008630",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15008630/v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1606|Advanced Physical and Chemical Molecular Interactions",
      "subfield": "physical"
    }
  ],
  "title": "The Graph Fourier Transform Recasts Rouse Modes to Encode Polymer Sequence",
  "title_text": "The Graph Fourier Transform Recasts Rouse Modes to Encode Polymer Sequence",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:19Z",
  "url": "https://research.draconitic.com/paper/a0yz4wdf6xbqf",
  "venue": "ChemRxiv",
  "versions": []
}